2-[4-[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C25H20F6N6O2 — CID 160614969

About 2-[4-[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-[4-[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 160614969) has the molecular formula C25H20F6N6O2 and a molecular weight of 550.46 g/mol. Its IUPAC name is 2-[4-[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• PubChem CID: 160614969
• Molecular Formula: C25H20F6N6O2
• Molecular Weight: 550.46 g/mol
• Exact Mass: 550.16
• IUPAC Name: 2-[4-[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• SMILES: Cc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cnn1C(F)F
• InChI: InChI=1S/C25H20F6N6O2/c1-13-16(12-34-37(13)23(27)28)7-20-32-10-17(11-33-20)14-2-3-15(18(26)6-14)8-22(38)35-21-9-19(39-36-21)24(4-5-24)25(29,30)31/h2-3,6,9-12,23H,4-5,7-8H2,1H3,(H,35,36,38)
• InChIKey: RFYWMOKRGHTVNL-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.46
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?

The IUPAC name of 2-[4-[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 160614969) is 2-[4-[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

What is the SMILES notation for 2-[4-[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?

The canonical SMILES for 2-[4-[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is Cc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cnn1C(F)F.

What is the InChIKey of 2-[4-[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?

The InChIKey is RFYWMOKRGHTVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F6N6O2/c1-13-16(12-34-37(13)23(27)28)7-20-32-10-17(11-33-20)14-2-3-15(18(26)6-14)8-22(38)35-21-9-19(39-36-21)24(4-5-24)25(29,30)31/h2-3,6,9-12,23H,4-5,7-8H2,1H3,(H,35,36,38).

What are the key properties of 2-[4-[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?

2-[4-[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 550.46 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 160614969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).